SCHEMBL739860

SCHEMBL739860

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4sc(C(=O)N[C@H](CN5CCOCC5)c5ccccc5)cc34)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.79
AURKB Q96GD4 3/20 0.67
KIT P10721 2/20 0.67
CDC7 O00311 1/20 0.67
CHEK1 O14757 1/20 0.67
JAK2 O60674 1/20 0.67
PAK4 O96013 1/20 0.67
NTRK1 P04629 1/20 0.67
PRKCB P05771 1/20 0.67
INSR P06213 1/20 0.67
RET P07949 1/20 0.67
FGFR1 P11362 1/20 0.67
PRKACA P17612 1/20 0.67
FLT4 P35916 1/20 0.67
KDR P35968 1/20 0.67
JAK3 P52333 1/20 0.67
PDK1 Q15118 1/20 0.67
STK26 Q9P289 1/20 0.67
AURKC Q9UQB9 1/20 0.67
ALK Q9UM73 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL742869 0.95 AURKA (0.78) AURKAAURKBKITCDC7CHEK1
SCHEMBL742866 0.94 AURKA (0.79) AURKAAURKBKITCDC7CHEK1
SCHEMBL740790 0.92 AURKA (0.78) AURKAAURKBKITCDC7CHEK1
SCHEMBL3104551 0.90 AURKA (0.78) AURKAAURKBKITCDC7CHEK1
SCHEMBL739691 0.90 AURKA (0.78) AURKAAURKBKITCDC7CHEK1
SCHEMBL739912 0.89 AURKA (0.66) AURKAAURKBKITCDC7CHEK1
SCHEMBL3885529 0.88 AURKA (1.00) AURKAAURKBKITCDC7CHEK1
SCHEMBL739953 0.88 AURKA (0.66) AURKAAURKBKITCDC7CHEK1
SCHEMBL741347 0.85 AURKA (0.62) AURKAAURKBKITCDC7CHEK1
SCHEMBL742563 0.85 AURKA (0.78) AURKAAURKBKITALK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138217-B2 Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-20 US claimed
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP claimed
EP-1711177-A1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS Pfizer Italia S.r.l. (IT) 2006-10-18 EP claimed
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-08-25 US claimed
WO-2005074922-A1 1H-THIENO[2,3-c]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2005-08-18 WO claimed
US-8481584-B2 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed
US-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-28 US disclosed
US-8138361-B2 C-10 carbamates of taxanes THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-03-20 US disclosed
US-8138217-B2 Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-20 US disclosed
US-20060234909-A1 Compositions and methods for increasing drug efficiency NEWMAN MICHAEL J 2006-10-19 US disclosed
EP-1711177-A1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS Pfizer Italia S.r.l. (IT) 2006-10-18 EP disclosed
US-20050187147-A1 Compositions and methods for increasing drug efficiency ACIDOPHIL LLC 2005-08-25 US disclosed
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-08-25 US disclosed
WO-2005074922-A1 1H-THIENO[2,3-c]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2005-08-18 WO disclosed
US-20050148534-A1 Small molecule compositions and methods for increasing drug efficiency using compositions thereof ACIDOPHIL LLC 2005-07-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K3 AURKA 349/4885AURKB 426/4885KIT 795/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 AURKA 340/4885AURKB 418/4885KIT 795/4885
US-20060234909-A1 Compositions and methods for increasing drug efficiency ILK, DMPK, EPHA2 AURKA 150/4885AURKB 257/4885KIT 1192/4885
US-20050187147-A1 Compositions and methods for increasing drug efficiency ILK, DMPK, EPHA2 AURKA 150/4885AURKB 257/4885KIT 1192/4885
US-20050148534-A1 Small molecule compositions and methods for increasing drug efficiency using compositions thereof DMPK, PCK1, PHKG2 AURKA 377/4885AURKB 372/4885KIT 918/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.